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Compile Data Set for Download or QSAR

Found 425 hits of ph data with Target = 'Coagulation factor XI'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (human))
BDBM247411
PNG
(US9453018, 353)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
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0.100 -59.4n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247414
PNG
(US9453018, 367 | US9453018, 368)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N9O2/c1-16-4-3-5-24(21-10-17(8-9-34-21)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-23(19)42-14-25(38-39-42)29(31,32)33/h6-16,24H,3-5H2,1-2H3,(H,37,44)/t16-,24+/m1/s1
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0.100 -59.4n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247417
PNG
(US9453018, 370 | US9453018, 371)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N9O2/c1-16-4-3-5-23(17-8-9-34-21(10-17)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-24(19)42-14-25(38-39-42)29(31,32)33/h6-16,23H,3-5H2,1-2H3,(H,37,44)/t16-,23+/m1/s1
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0.100 -59.4n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247417
PNG
(US9453018, 370 | US9453018, 371)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N9O2/c1-16-4-3-5-23(17-8-9-34-21(10-17)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-24(19)42-14-25(38-39-42)29(31,32)33/h6-16,23H,3-5H2,1-2H3,(H,37,44)/t16-,23+/m1/s1
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0.100 -59.4n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247416
PNG
(US9453018, 369)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H23ClF5N9O2/c1-15-3-2-4-23(20-9-16(7-8-36-20)26-21(39-27(15)46)12-38-44(26)28(31)32)42-14-37-19(11-25(42)45)18-10-17(30)5-6-22(18)43-13-24(40-41-43)29(33,34)35/h5-15,23,28H,2-4H2,1H3,(H,39,46)/t15-,23+/m1/s1
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0.100 -59.4n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247414
PNG
(US9453018, 367 | US9453018, 368)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N9O2/c1-16-4-3-5-24(21-10-17(8-9-34-21)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-23(19)42-14-25(38-39-42)29(31,32)33/h6-16,24H,3-5H2,1-2H3,(H,37,44)/t16-,24+/m1/s1
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0.100 -59.4n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247419
PNG
(US9453018, 373)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(O)=O
Show InChI InChI=1S/C29H26ClN9O4/c1-16-4-3-5-25(21-10-17(8-9-31-21)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(30)6-7-24(19)39-14-23(29(42)43)35-36-39/h6-16,25H,3-5H2,1-2H3,(H,34,41)(H,42,43)/t16-,25+/m1/s1
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0.200 -57.6n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247418
PNG
(US9453018, 372)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(O)=O
Show InChI InChI=1S/C29H26ClN9O4/c1-16-4-3-5-24(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(30)6-7-25(19)39-14-23(29(42)43)35-36-39/h6-16,24H,3-5H2,1-2H3,(H,34,41)(H,42,43)/t16-,24+/m1/s1
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0.200 -57.6n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247413
PNG
(US9453018, 362 | US9453018, 363)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C28H25Cl2N9O2/c1-16-4-3-5-23(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(29)6-7-24(19)39-14-25(30)35-36-39/h6-16,23H,3-5H2,1-2H3,(H,34,41)/t16-,23+/m1/s1
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0.200 -57.6n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247413
PNG
(US9453018, 362 | US9453018, 363)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C28H25Cl2N9O2/c1-16-4-3-5-23(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(29)6-7-24(19)39-14-25(30)35-36-39/h6-16,23H,3-5H2,1-2H3,(H,34,41)/t16-,23+/m1/s1
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0.200 -57.6n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM247412
PNG
(US9453018, 354)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2nn(cc2NC1=O)-c1cccnc1)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C32H26Cl2N10O2/c1-19-4-2-6-28(42-18-37-24(14-30(42)45)23-13-21(33)7-8-27(23)44-17-29(34)39-41-44)25-12-20(9-11-36-25)31-26(38-32(19)46)16-43(40-31)22-5-3-10-35-15-22/h3,5,7-19,28H,2,4,6H2,1H3,(H,38,46)/t19-,28+/m1/s1
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0.600 -54.8n/an/an/an/an/a7.437



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12946
PNG
((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C31H38Cl2N8O4S/c1-18(2)25(28(44)39-23(9-6-12-37-30(34)35)26(42)29-36-13-14-46-29)41-27(43)24(16-19-7-4-3-5-8-19)40-31(45)38-17-20-10-11-21(32)22(33)15-20/h3-5,7-8,10-11,13-15,18,23-25H,6,9,12,16-17H2,1-2H3,(H,39,44)(H,41,43)(H4,34,35,37)(H2,38,40,45)/t23-,24-,25-/m0/s1
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n/an/a 93n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12948
PNG
((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C31H39FN8O4S/c1-19(2)25(28(43)38-23(9-6-14-36-30(33)34)26(41)29-35-15-16-45-29)40-27(42)24(17-20-7-4-3-5-8-20)39-31(44)37-18-21-10-12-22(32)13-11-21/h3-5,7-8,10-13,15-16,19,23-25H,6,9,14,17-18H2,1-2H3,(H,38,43)(H,40,42)(H4,33,34,36)(H2,37,39,44)/t23-,24-,25-/m0/s1
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n/an/a 160n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12949
PNG
(alpha-ketothiazole analogue 9 | ethyl 2-({[(1S)-1-...)
Show SMILES CCOC(=O)C(Cc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C35H46N8O6S/c1-4-49-33(47)27(21-24-14-9-6-10-15-24)42-35(48)41-26(20-23-12-7-5-8-13-23)30(45)43-28(22(2)3)31(46)40-25(16-11-17-39-34(36)37)29(44)32-38-18-19-50-32/h5-10,12-15,18-19,22,25-28H,4,11,16-17,20-21H2,1-3H3,(H,40,46)(H,43,45)(H4,36,37,39)(H2,41,42,48)/t25-,26-,27?,28-/m0/s1
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n/an/a 258n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12950
PNG
(alpha-ketothiazole analogue 10 | ethyl 2-({[(1S)-1...)
Show SMILES CCOC(=O)C(CC(C)C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C32H48N8O6S/c1-6-46-30(44)24(17-19(2)3)39-32(45)38-23(18-21-11-8-7-9-12-21)27(42)40-25(20(4)5)28(43)37-22(13-10-14-36-31(33)34)26(41)29-35-15-16-47-29/h7-9,11-12,15-16,19-20,22-25H,6,10,13-14,17-18H2,1-5H3,(H,37,43)(H,40,42)(H4,33,34,36)(H2,38,39,45)/t22-,23-,24?,25-/m0/s1
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n/an/a 403n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12951
PNG
((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C30H38N8O4S/c1-19(2)24(27(41)36-22(14-9-15-34-29(31)32)25(39)28-33-16-17-43-28)38-26(40)23(18-20-10-5-3-6-11-20)37-30(42)35-21-12-7-4-8-13-21/h3-8,10-13,16-17,19,22-24H,9,14-15,18H2,1-2H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t22-,23-,24-/m0/s1
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n/an/a 1.92E+3n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12952
PNG
((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C28H35N7O5S/c1-17(2)22(26(39)33-19(10-6-12-32-28(29)30)23(36)27-31-13-15-41-27)35-24(37)20(16-18-8-4-3-5-9-18)34-25(38)21-11-7-14-40-21/h3-5,7-9,11,13-15,17,19-20,22H,6,10,12,16H2,1-2H3,(H,33,39)(H,34,38)(H,35,37)(H4,29,30,32)/t19-,20-,22-/m0/s1
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n/an/a 2.20E+3n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12953
PNG
((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C29H37N7O4S2/c1-18(2)24(27(40)35-21(11-6-12-33-29(30)31)25(38)28-32-13-15-42-28)36-26(39)22(16-19-8-4-3-5-9-19)34-23(37)17-20-10-7-14-41-20/h3-5,7-10,13-15,18,21-22,24H,6,11-12,16-17H2,1-2H3,(H,34,37)(H,35,40)(H,36,39)(H4,30,31,33)/t21-,22-,24-/m0/s1
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n/an/a 2.60E+3n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12954
PNG
((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C29H35Cl2N7O5S2/c1-17(2)24(27(41)36-22(9-6-12-35-29(32)33)25(39)28-34-13-14-44-28)37-26(40)23(15-18-7-4-3-5-8-18)38-45(42,43)19-10-11-20(30)21(31)16-19/h3-5,7-8,10-11,13-14,16-17,22-24,38H,6,9,12,15H2,1-2H3,(H,36,41)(H,37,40)(H4,32,33,35)/t22-,23-,24-/m0/s1
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n/an/a 2.30E+3n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12955
PNG
((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C28H40Cl2N8O4S/c1-15(2)12-21(37-28(42)35-14-17-7-8-18(29)19(30)13-17)24(40)38-22(16(3)4)25(41)36-20(6-5-9-34-27(31)32)23(39)26-33-10-11-43-26/h7-8,10-11,13,15-16,20-22H,5-6,9,12,14H2,1-4H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t20-,21-,22-/m0/s1
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n/an/a 63n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12956
PNG
((2S,3R)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thi...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C29H42Cl2N8O4S/c1-5-17(4)23(26(42)37-21(7-6-10-35-28(32)33)24(40)27-34-11-12-44-27)39-25(41)22(13-16(2)3)38-29(43)36-15-18-8-9-19(30)20(31)14-18/h8-9,11-12,14,16-17,21-23H,5-7,10,13,15H2,1-4H3,(H,37,42)(H,39,41)(H4,32,33,35)(H2,36,38,43)/t17?,21-,22-,23-/m0/s1
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n/an/a 76n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12957
PNG
((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C32H40Cl2N8O5S/c1-18(2)14-25(42-32(47)39-17-20-7-10-22(33)23(34)15-20)28(45)41-26(16-19-5-8-21(43)9-6-19)29(46)40-24(4-3-11-38-31(35)36)27(44)30-37-12-13-48-30/h5-10,12-13,15,18,24-26,43H,3-4,11,14,16-17H2,1-2H3,(H,40,46)(H,41,45)(H4,35,36,38)(H2,39,42,47)/t24-,25-,26-/m0/s1
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n/an/a 200n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12958
PNG
((2S)-N-[(S)-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C31H44Cl2N8O4S/c1-18(2)15-24(40-31(45)38-17-19-10-11-21(32)22(33)16-19)27(43)41-25(20-7-4-3-5-8-20)28(44)39-23(9-6-12-37-30(34)35)26(42)29-36-13-14-46-29/h10-11,13-14,16,18,20,23-25H,3-9,12,15,17H2,1-2H3,(H,39,44)(H,41,43)(H4,34,35,37)(H2,38,40,45)/t23-,24-,25-/m0/s1
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n/an/a 340n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12959
PNG
((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C32H40Cl2N8O4S/c1-19(2)15-25(42-32(46)39-18-21-10-11-22(33)23(34)16-21)28(44)41-26(17-20-7-4-3-5-8-20)29(45)40-24(9-6-12-38-31(35)36)27(43)30-37-13-14-47-30/h3-5,7-8,10-11,13-14,16,19,24-26H,6,9,12,15,17-18H2,1-2H3,(H,40,45)(H,41,44)(H4,35,36,38)(H2,39,42,46)/t24-,25-,26-/m0/s1
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n/an/a 710n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12960
PNG
((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C26H36Cl2N8O4S/c1-14(2)11-20(36-26(40)33-13-16-6-7-17(27)18(28)12-16)23(39)34-15(3)22(38)35-19(5-4-8-32-25(29)30)21(37)24-31-9-10-41-24/h6-7,9-10,12,14-15,19-20H,4-5,8,11,13H2,1-3H3,(H,34,39)(H,35,38)(H4,29,30,32)(H2,33,36,40)/t15-,19-,20-/m0/s1
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n/an/a 920n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM12961
PNG
((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1)C(C)(C)C
Show InChI InChI=1S/C29H42Cl2N8O4S/c1-16(2)13-21(38-28(43)36-15-17-8-9-18(30)19(31)14-17)24(41)39-23(29(3,4)5)25(42)37-20(7-6-10-35-27(32)33)22(40)26-34-11-12-44-26/h8-9,11-12,14,16,20-21,23H,6-7,10,13,15H2,1-5H3,(H,37,42)(H,39,41)(H4,32,33,35)(H2,36,38,43)/t20-,21-,23+/m0/s1
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n/an/a 9.20E+3n/an/an/an/a7.430



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)



Assay Description
Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...


J Med Chem 49: 7781-91 (2006)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2SJ1HTM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM32996
PNG
(1-(4-chlorophenyl)-3-[4-(2-hydroxyphenyl)-1,3-thia...)
Show SMILES Oc1ccccc1-c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H12ClN3O2S/c17-10-5-7-11(8-6-10)18-15(22)20-16-19-13(9-23-16)12-3-1-2-4-14(12)21/h1-9,21H,(H2,18,19,20,22)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM32997
PNG
(5-Oxo-5-(3-phenyl-5-thiophen-2-yl-4,5-dihydro-pyra...)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1cccs1)c1ccccc1
Show InChI InChI=1S/C18H18N2O3S/c21-17(9-4-10-18(22)23)20-15(16-8-5-11-24-16)12-14(19-20)13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM32998
PNG
(5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2....)
Show SMILES CC1(C)C2CCC(C2)C1(C)\N=C1/OC(CCl)CS1
Show InChI InChI=1S/C14H22ClNOS/c1-13(2)9-4-5-10(6-9)14(13,3)16-12-17-11(7-15)8-18-12/h9-11H,4-8H2,1-3H3/b16-12+
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM32999
PNG
(8-Ethyl-4-phenyl-1-thia-4-aza-spiro[4.5]decan-3-on...)
Show InChI InChI=1S/C16H21NOS/c1-2-13-8-10-16(11-9-13)17(15(18)12-19-16)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33000
PNG
(3H-Benzoimidazole-5-carboxylic acid [1-(2-nitro-ph...)
Show SMILES [O-][N+](=O)c1ccccc1C=NNC(=O)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C15H11N5O3/c21-15(10-5-6-12-13(7-10)17-9-16-12)19-18-8-11-3-1-2-4-14(11)20(22)23/h1-9H,(H,16,17)(H,19,21)
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n/an/a 1.60E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33001
PNG
(MLS001012174 | N-(2-Oxo-tetrahydro-thiophen-3-yl)-...)
Show SMILES O=C(NC1CCSC1=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H17NO2S/c20-17(19-15-11-12-22-18(15)21)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33002
PNG
(3,3-Dimethyl-1-(1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES CC(C)(C)C(=O)CSc1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C17H18N4OS/c1-17(2,3)14(22)10-23-16-13-9-20-21(15(13)18-11-19-16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33003
PNG
(1,2-Bis-(3-amino-4-methyl-phenyl)-ethane-1,2-dione...)
Show SMILES Cc1ccc(cc1N)C(=O)C(=O)c1ccc(C)c(N)c1
Show InChI InChI=1S/C16H16N2O2/c1-9-3-5-11(7-13(9)17)15(19)16(20)12-6-4-10(2)14(18)8-12/h3-8H,17-18H2,1-2H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33004
PNG
(2-(2-Bromo-phenyl)-6-methyl-thieno[2,3-d][1,3]oxaz...)
Show SMILES Cc1cc2c(nc(oc2=O)-c2ccccc2Br)s1
Show InChI InChI=1S/C13H8BrNO2S/c1-7-6-9-12(18-7)15-11(17-13(9)16)8-4-2-3-5-10(8)14/h2-6H,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33005
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-pyridin-3-yl-acryl...)
Show SMILES N#C\C(=C/c1cccnc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H10N4/c16-9-12(8-11-4-3-7-17-10-11)15-18-13-5-1-2-6-14(13)19-15/h1-8,10H,(H,18,19)/b12-8+
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33006
PNG
(MLS000767171 | N-[2-[1-(2,6-dimethylphenyl)-1,2,3,...)
Show SMILES COc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1
Show InChI InChI=1S/C19H23N5O/c1-13-8-6-9-14(2)17(13)24-18(21-22-23-24)19(3,4)20-15-10-7-11-16(12-15)25-5/h6-12,20H,1-5H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33007
PNG
(4-chloranyl-2-nitro-benzenesulfonamide | 4-chloro-...)
Show SMILES NS(=O)(=O)c1ccc(Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C6H5ClN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33008
PNG
(4-[3-(4-Benzyl-piperidin-1-yl)-propionylamino]-5-m...)
Show SMILES CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CCN3CCC(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C29H37N3O4/c1-5-36-29(34)26-20(2)31(3)23-11-12-24(35-4)28(27(23)26)30-25(33)15-18-32-16-13-22(14-17-32)19-21-9-7-6-8-10-21/h6-12,22H,5,13-19H2,1-4H3,(H,30,33)
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33009
PNG
(4-Methyl-2-[2-(4-methyl-piperazine-1-carbothioylsu...)
Show SMILES CCOC(=O)c1sc(NC(=O)CSC(=S)N2CCN(C)CC2)nc1C
Show InChI InChI=1S/C15H22N4O3S3/c1-4-22-13(21)12-10(2)16-14(25-12)17-11(20)9-24-15(23)19-7-5-18(3)6-8-19/h4-9H2,1-3H3,(H,16,17,20)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33010
PNG
(3-(4-Chloro-phenylsulfanyl)-1-(2,3-dihydro-benzo[1...)
Show SMILES Oc1cc(Sc2ccc(Cl)cc2)c(O)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H14ClNO4S/c19-11-1-4-13(5-2-11)25-16-10-17(21)20(18(16)22)12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9-10,21-22H,7-8H2
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33011
PNG
(3-(1-benzimidazolyl)-N-[(4-methoxyphenyl)methylide...)
Show SMILES COc1ccc(C=NNC(=O)CCn2cnc3ccccc23)cc1
Show InChI InChI=1S/C18H18N4O2/c1-24-15-8-6-14(7-9-15)12-20-21-18(23)10-11-22-13-19-16-4-2-3-5-17(16)22/h2-9,12-13H,10-11H2,1H3,(H,21,23)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33012
PNG
(5-(1-Methyl-1H-pyrrol-2-yl)-2H-pyrazole-3-carboxyl...)
Show SMILES CC(C=NNC(=O)c1cc(n[nH]1)-c1cccn1C)=Cc1ccccc1
Show InChI InChI=1S/C19H19N5O/c1-14(11-15-7-4-3-5-8-15)13-20-23-19(25)17-12-16(21-22-17)18-9-6-10-24(18)2/h3-13H,1-2H3,(H,21,22)(H,23,25)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33013
PNG
(MLS000770965 | N-[(2-keto-1H-benzo[cd]indol-6-yl)m...)
Show SMILES O=C(NCc1ccc2NC(=O)c3cccc1c23)c1cccs1
Show InChI InChI=1S/C17H12N2O2S/c20-16-12-4-1-3-11-10(6-7-13(19-16)15(11)12)9-18-17(21)14-5-2-8-22-14/h1-8H,9H2,(H,18,21)(H,19,20)
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33014
PNG
(3-[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3...)
Show SMILES Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N3O4/c1-13-10-19(14(2)30(13)16-7-5-6-15(11-16)24(25,26)27)20(31)12-29-22(32)18-9-4-3-8-17(18)21(28-29)23(33)34/h3-11H,12H2,1-2H3,(H,33,34)
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33015
PNG
(2-[(5-methylthiophene-2-carbonyl)amino]acetic acid...)
Show SMILES CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H25N3O5S/c1-14-3-8-18(30-14)21(27)22-13-19(25)29-15(2)20(26)23-16-4-6-17(7-5-16)24-9-11-28-12-10-24/h3-8,15H,9-13H2,1-2H3,(H,22,27)(H,23,26)
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33016
PNG
(MLS001010805 | N-(1,1-diketothiolan-3-yl)-2-[(6-et...)
Show SMILES CCc1cc2c(SCC(=O)N(C)C3CCS(=O)(=O)C3)ncnc2s1
Show InChI InChI=1S/C15H19N3O3S3/c1-3-11-6-12-14(16-9-17-15(12)23-11)22-7-13(19)18(2)10-4-5-24(20,21)8-10/h6,9-10H,3-5,7-8H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33017
PNG
(3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-[(5...)
Show SMILES Clc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)nc1
Show InChI InChI=1S/C18H15ClN4O4/c19-11-5-6-14(20-9-11)22-16(24)10-27-17(25)8-7-15-21-13-4-2-1-3-12(13)18(26)23-15/h1-6,9H,7-8,10H2,(H,20,22,24)(H,21,23,26)
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n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33018
PNG
(2-(2,4-dimethoxyanilino)-N-(2-morpholin-4-yl-5-mor...)
Show SMILES COc1ccc(NCC(=O)Nc2cc(ccc2N2CCOCC2)S(=O)(=O)N2CCOCC2)c(OC)c1
Show InChI InChI=1S/C24H32N4O7S/c1-32-18-3-5-20(23(15-18)33-2)25-17-24(29)26-21-16-19(36(30,31)28-9-13-35-14-10-28)4-6-22(21)27-7-11-34-12-8-27/h3-6,15-16,25H,7-14,17H2,1-2H3,(H,26,29)
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n/an/a 6.52E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM33019
PNG
(4-[3-(4-Hydrazinocarbonylmethoxy-2-hydroxy-phenyl)...)
Show SMILES CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1
Show InChI InChI=1S/C21H22N4O6/c1-2-9-29-21(28)13-3-5-14(6-4-13)31-18-11-23-25-20(18)16-8-7-15(10-17(16)26)30-12-19(27)24-22/h3-8,10-11,26H,2,9,12,22H2,1H3,(H,23,25)(H,24,27)
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PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
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